[(2S,4R)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-pentyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,4R)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-pentyl] 4-methylbenzenesulfonate Openeye Name: [(2S,4R)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,4R)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentyl] ester IUPAC Name: [(2S,4R)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,4R)-2,4-dimethyl-5-p-anisyloxy-pentyl] ester Formula: C22H30O5S MolecularWeight: 406.5356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)CC(C)COCC2=CC=C(C=C2)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H](C)C[C@@H](C)COCC2=CC=C(C=C2)OC

InChI

InChI=1S/C22H30O5S/c1-17-5-11-22(12-6-17)28(23,24)27-15-19(3)13-18(2)14-26-16-20-7-9-21(25-4)10-8-20/h5-12,18-19H,13-16H2,1-4H3/t18-,19+/m1/s1